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Volume 69 
Part 2 
Pages m77-m78  
February 2013  

Received 7 December 2012
Accepted 28 December 2012
Online 9 January 2013

Key indicators
Single-crystal X-ray study
T = 298 K
Mean [sigma](C-C) = 0.008 Å
R = 0.053
wR = 0.148
Data-to-parameter ratio = 15.6
Details
Open access

cis-Bis(2,2'-bipyridine-[kappa]2N,N')bis(pyridin-4-amine-[kappa]N1)ruthenium(II) bis(hexafluoridophosphate) acetonitrile monosolvate1

aUniversidade Federal de São Carlos, Departamento de Química, CP 676, CEP 13565-905, São Carlos/SP, Brazil,bUniversidade Federal de Goias, Instituto de Química, Campus Samambaia, CP 131, CEP 74001-970, Goiania/GO, Brazil,cUniversidade Federal de Alagoas, Centro de Ciências Exatas e Naturais, Departamento de Química, CEP 57072-970, Maceió/AL, Brazil, and dUniversidade de São Paulo, Instituto de Física de Sao Carlos, CP 369, CEP 13560-970, São Carlos/SP, Brazil
Correspondence e-mail: rosem@ufscar.br

In the title complex, [Ru(C10H8N2)2(C5H6N2)2](PF6)2·CH3CN, the RuII atom is bonded to two [alpha]-diimine ligands, viz. 2,2'-bipyridine, in a cis configuration and to two 4-aminopyridine (4Apy) ligands in the expected distorted octahedral configuration. The compound is isostructural with [Ru(C10H8N2)2(C5H6N2)2](ClO4)2·CH3CN [Duan et al. (1999[Duan, C.-Y., Lu, Z.-L., You, X.-Z. & Mak, T. C. W. (1999). J. Coord. Chem. 46, 301-312.]). J. Coord. Chem. 46, 301-312] and both structures are stabilized by classical hydrogen bonds between 4Apy ligands as donors and counter-ions and acetonitrile solvent molecules as acceptors. Indeed, N-H...F interactions give rise to an intermolecularly locked assembly of two centrosymmetric complex molecules and two PF6- counter-ions, which can be considered as the building units of both crystal architectures. The building blocks are connected to one another through hydrogen bonds between 4Apy and the connecting pieces made up of two centrosymmetric motifs with PF6- ions and acetonitrile molecules, giving rise to ribbons running parallel to [011]. 21-Screw-axis-related complex molecules and PF6- counter-ions alternate in helical chains formed along the a axis by means of these contacts.

Related literature

For compounds with similar properties, see: Stoyanov et al. (2002[Stoyanov, S. R., Villegas, J. M. & Rillema, D. P. (2002). Inorg. Chem. 41, 2941-2945.]); Duan et al. (1999[Duan, C.-Y., Lu, Z.-L., You, X.-Z. & Mak, T. C. W. (1999). J. Coord. Chem. 46, 301-312.]); Salassa et al. (2009[Salassa, L., Garino, C., Salassa, G., Nervi, C., Gobetto, R., Lamberti, C., Gianolio, D., Bizzarri, R. & Sadler, P. J. (2009). Inorg. Chem. 48, 1469-1481.]). For use of 4Apy, see: Sinha & Shrivastava (2012[Sinha, S. K. & Shrivastava, S. K. (2012). Med. Chem. Res. 21, 4395-4402.]). For the synthesis of the starting materials, see: Bonneson et al. (1983[Bonneson, P. J., Walsh, L., Pennington, W. T., Cordes, A. W. & Durham, B. (1983). Inorg. Chem. 22, 1761-1765.]).

[Scheme 1]

Experimental

Crystal data
  • [Ru(C10H8N2)2(C5H6N2)2](PF6)2·C2H3N

  • Mr = 932.67

  • Triclinic, [P \overline 1]

  • a = 10.8290 (3) Å

  • b = 11.8890 (3) Å

  • c = 16.1020 (4) Å

  • [alpha] = 104.073 (1)°

  • [beta] = 99.114 (2)°

  • [gamma] = 107.761 (2)°

  • V = 1853.32 (8) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 0.61 mm-1

  • T = 298 K

  • 0.21 × 0.11 × 0.09 mm

Data collection
  • Nonius KappaCCD diffractometer

  • Absorption correction: multi-scan (Blessing, 1995[Blessing, R. H. (1995). Acta Cryst. A51, 33-38.]) Tmin = 0.935, Tmax = 0.950

  • 14506 measured reflections

  • 7906 independent reflections

  • 6142 reflections with I > 2[sigma](I)

  • Rint = 0.033

Refinement
  • R[F2 > 2[sigma](F2)] = 0.053

  • wR(F2) = 0.148

  • S = 1.06

  • 7906 reflections

  • 506 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.90 e Å-3

  • [Delta][rho]min = -0.58 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
N4-H4A...F4i 0.86 2.19 2.871 (8) 135
N4-H4B...F6Aii 0.86 2.47 2.962 (7) 117
N4A-H4A1...F5iii 0.86 2.44 3.184 (8) 145
N4A-H4A2...N1Siv 0.86 2.34 3.162 (13) 161
Symmetry codes: (i) x, y+1, z; (ii) -x+1, -y+1, -z+1; (iii) -x, -y, -z+1; (iv) -x+1, -y, -z.

Data collection: COLLECT (Nonius, 2000[Nonius (2000). COLLECT. Nonius BV, Delft, The Netherlands.]); cell refinement: SCALEPACK (Otwinowski & Minor, 1997[Otwinowski, Z. & Minor, W. (1997). Methods in Enzymology, Vol. 276, Macromolecular Crystallography, Part A, edited by C. W. Carter Jr & R. M. Sweet, pp. 307-326. New York: Academic Press.]); data reduction: DENZO (Otwinowski & Minor, 1997[Otwinowski, Z. & Minor, W. (1997). Methods in Enzymology, Vol. 276, Macromolecular Crystallography, Part A, edited by C. W. Carter Jr & R. M. Sweet, pp. 307-326. New York: Academic Press.]) and SCALEPACK; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); molecular graphics: ORTEP-3 for Windows (Farrugia, 2012[Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.]) and Mercury (Macrae et al., 2006[Macrae, C. F., Edgington, P. R., McCabe, P., Pidcock, E., Shields, G. P., Taylor, R., Towler, M. & van de Streek, J. (2006). J. Appl. Cryst. 39, 453-457.]); software used to prepare material for publication: WinGX (Farrugia, 2012[Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.]).


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: BG2496 ).


Acknowledgements

The authors wish to thank FAPESP (Proc. 2009/08218-0; 2008/52859-7), CNPq (Universal 470890/2010-0) and CAPES for the grants and fellowships given to this research.

References

Blessing, R. H. (1995). Acta Cryst. A51, 33-38.  [CrossRef] [details]
Bonneson, P. J., Walsh, L., Pennington, W. T., Cordes, A. W. & Durham, B. (1983). Inorg. Chem. 22, 1761-1765.  [CrossRef] [ChemPort] [ISI]
Duan, C.-Y., Lu, Z.-L., You, X.-Z. & Mak, T. C. W. (1999). J. Coord. Chem. 46, 301-312.
Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.  [ISI] [CrossRef] [ChemPort] [details]
Macrae, C. F., Edgington, P. R., McCabe, P., Pidcock, E., Shields, G. P., Taylor, R., Towler, M. & van de Streek, J. (2006). J. Appl. Cryst. 39, 453-457.  [ISI] [CrossRef] [ChemPort] [details]
Nonius (2000). COLLECT. Nonius BV, Delft, The Netherlands.
Otwinowski, Z. & Minor, W. (1997). Methods in Enzymology, Vol. 276, Macromolecular Crystallography, Part A, edited by C. W. Carter Jr & R. M. Sweet, pp. 307-326. New York: Academic Press.
Salassa, L., Garino, C., Salassa, G., Nervi, C., Gobetto, R., Lamberti, C., Gianolio, D., Bizzarri, R. & Sadler, P. J. (2009). Inorg. Chem. 48, 1469-1481.  [ISI] [CrossRef] [PubMed] [ChemPort]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Sinha, S. K. & Shrivastava, S. K. (2012). Med. Chem. Res. 21, 4395-4402.  [ISI] [CrossRef] [ChemPort]
Stoyanov, S. R., Villegas, J. M. & Rillema, D. P. (2002). Inorg. Chem. 41, 2941-2945.  [ISI] [CrossRef] [PubMed] [ChemPort]


Acta Cryst (2013). E69, m77-m78   [ doi:10.1107/S1600536812052002 ]

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